N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

C21H24ClN3O3S — CID 67341609

IUPACN-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-24-10-8-17(9-11-24)23-19-14-18(5-6-21(19)28-2)29(26,27)25-12-7-15-3-4-16(22)13-20(15)25/h3-7,12-14,17,23H,8-11H2,1-2H3
InChIKeyWPXVYWYYVFQYEP-UHFFFAOYSA-N
MW433.96 g/mol
LogP4.05
Rot. Bonds5

About N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (PubChem CID 67341609) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
PubChem CID67341609
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC NameN-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-24-10-8-17(9-11-24)23-19-14-18(5-6-21(19)28-2)29(26,27)25-12-7-15-3-4-16(22)13-20(15)25/h3-7,12-14,17,23H,8-11H2,1-2H3
InChIKeyWPXVYWYYVFQYEP-UHFFFAOYSA-N
XLogP4.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (CID 67341609) is N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is COc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The InChIKey is WPXVYWYYVFQYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-24-10-8-17(9-11-24)23-19-14-18(5-6-21(19)28-2)29(26,27)25-12-7-15-3-4-16(22)13-20(15)25/h3-7,12-14,17,23H,8-11H2,1-2H3.
What are the key properties of N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine has a molecular weight of 433.96 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 67341609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).